CID 50484

5-acetyl-3-morpholinomethylindole monohydrate

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(=O)C1=CC2=C(C=C1)NC=C2CN3CCOCC3
InChI
InChI=1S/C15H18N2O2/c1-11(18)12-2-3-15-14(8-12)13(9-16-15)10-17-4-6-19-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKey
UVHBNQLMGNFSQF-UHFFFAOYSA-N
Compound name
1-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.2
[M+Na]+ 281.126058 166.1
[M-H]- 257.129564 163.1
[M+NH4]+ 276.170663 173.9
[M+K]+ 297.099998 162.5
[M+H-H2O]+ 241.134100 150.9
[M+HCOO]- 303.135041 175.4
[M+CH3COO]- 317.150691 170.1
[M+Na-2H]- 279.111506 162.4
[M]+ 258.13629142 157.4
[M]- 258.13738858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.